Glycoside
GD020971
Name:
NoneFormula:
C36H45O11N3Smiles:
CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(CC=C(C)C)c(O)c(CN5CCCC5)c4)c(=O)oc3c2C)OC1(C)CAglycone:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN2CCCC2)c1OSugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 10 |
| MolWt: | 695.77 | Num_heavy_atoms: | 50 |
| TPSA: | 203.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD14393
Formula: C27H30O6N2
Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN2CCCC2)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.55 | Num_heavy_atoms: | 35 |
| TPSA: | 123.24 | NumAromaticRings: | 3 |
